Geometry & MOs

Info

ID:	399402
PubChem CID:	135040129
Reduced:	BrO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	4.77
IP(EA), eV:	-10.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-5-[3-(methoxymethoxy)propyl]-6-methyl-4-methylidenetricyclo[3.3.0.03,7]octan-2-one

Drug info:

PubChemData

Smile

C1C=CC(OC1=O)C/C=C/CCBr

DOS

IR

Vibrations